2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide

C20H27N5O3 — CID 126583414

IUPAC2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide
SMILES[H]/N=C(\C1CNCCO1)N(Cc1cn(CC(=O)NOC)c2ccccc12)C1CC1
InChIInChI=1S/C20H27N5O3/c1-27-23-19(26)13-24-11-14(16-4-2-3-5-17(16)24)12-25(15-6-7-15)20(21)18-10-22-8-9-28-18/h2-5,11,15,18,21-22H,6-10,12-13H2,1H3,(H,23,26)/b21-20+
InChIKeyXORJMWYSCQNDDP-QZQOTICOSA-N
MW385.47 g/mol
LogP1.25
Rot. Bonds7

About 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide

2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide (PubChem CID 126583414) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide
PubChem CID126583414
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide
SMILES[H]/N=C(\C1CNCCO1)N(Cc1cn(CC(=O)NOC)c2ccccc12)C1CC1
InChIInChI=1S/C20H27N5O3/c1-27-23-19(26)13-24-11-14(16-4-2-3-5-17(16)24)12-25(15-6-7-15)20(21)18-10-22-8-9-28-18/h2-5,11,15,18,21-22H,6-10,12-13H2,1H3,(H,23,26)/b21-20+
InChIKeyXORJMWYSCQNDDP-QZQOTICOSA-N
XLogP1.25
TPSA91.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494835
N-cyclopropyl-N-[[1-(2-methoxyphenyl)indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494035
N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 70905472
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
CID 59494309
N-cyclopentyl-N-[(2-methoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 154909292
(3S,5R)-5-amino-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
CID 67273331
2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
CID 69065258
ethyl 2-[3-[[cyclopropyl-[(3R,4S)-4-(3-phenylphenyl)piperidine-3-carbonyl]amino]methyl]indol-1-yl]acetate
CID 11555610
(3S,5R)-5-N-cyclopropyl-3-N-(2-ethylbutyl)-5-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3,5-dicarboxamide
CID 24875443
(3S,4R)-N-cyclopropyl-N-[[1-(2-methoxyethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67061942
(3S,5R)-N-cyclopropyl-5-(2,2-dimethylpropanoylamino)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
CID 15984478
(3R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170906

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide?
The IUPAC name of 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide (CID 126583414) is 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide.
What is the SMILES notation for 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide?
The canonical SMILES for 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide is [H]/N=C(\C1CNCCO1)N(Cc1cn(CC(=O)NOC)c2ccccc12)C1CC1.
What is the InChIKey of 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide?
The InChIKey is XORJMWYSCQNDDP-QZQOTICOSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-27-23-19(26)13-24-11-14(16-4-2-3-5-17(16)24)12-25(15-6-7-15)20(21)18-10-22-8-9-28-18/h2-5,11,15,18,21-22H,6-10,12-13H2,1H3,(H,23,26)/b21-20+.
What are the key properties of 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide?
2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide has a molecular weight of 385.47 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[cyclopropyl(morpholine-2-carboximidoyl)amino]methyl]indol-1-yl]-N-methoxyacetamide is sourced from PubChem (CID 126583414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).